(1R)-1-(3-chlorophenyl)-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine

C20H19ClF3N3 — CID 44543088

IUPAC(1R)-1-(3-chlorophenyl)-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine
SMILESC[C@@H](N[C@H](C)c1ccn(-c2ccc(C(F)(F)F)cc2)n1)c1cccc(Cl)c1
InChIInChI=1S/C20H19ClF3N3/c1-13(15-4-3-5-17(21)12-15)25-14(2)19-10-11-27(26-19)18-8-6-16(7-9-18)20(22,23)24/h3-14,25H,1-2H3/t13-,14-/m1/s1
InChIKeyRWGKXZWVCMNMFB-ZIAGYGMSSA-N
MW393.84 g/mol
LogP5.96
Rot. Bonds5

About (1R)-1-(3-chlorophenyl)-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine

(1R)-1-(3-chlorophenyl)-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine (PubChem CID 44543088) has the molecular formula C20H19ClF3N3 and a molecular weight of 393.84 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine
PubChem CID44543088
Molecular FormulaC20H19ClF3N3
Molecular Weight393.84 g/mol
Exact Mass393.12
IUPAC Name(1R)-1-(3-chlorophenyl)-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine
SMILESC[C@@H](N[C@H](C)c1ccn(-c2ccc(C(F)(F)F)cc2)n1)c1cccc(Cl)c1
InChIInChI=1S/C20H19ClF3N3/c1-13(15-4-3-5-17(21)12-15)25-14(2)19-10-11-27(26-19)18-8-6-16(7-9-18)20(22,23)24/h3-14,25H,1-2H3/t13-,14-/m1/s1
InChIKeyRWGKXZWVCMNMFB-ZIAGYGMSSA-N
XLogP5.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.84
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine?
The IUPAC name of (1R)-1-(3-chlorophenyl)-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine (CID 44543088) is (1R)-1-(3-chlorophenyl)-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine is C[C@@H](N[C@H](C)c1ccn(-c2ccc(C(F)(F)F)cc2)n1)c1cccc(Cl)c1.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine?
The InChIKey is RWGKXZWVCMNMFB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C20H19ClF3N3/c1-13(15-4-3-5-17(21)12-15)25-14(2)19-10-11-27(26-19)18-8-6-16(7-9-18)20(22,23)24/h3-14,25H,1-2H3/t13-,14-/m1/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine?
(1R)-1-(3-chlorophenyl)-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine has a molecular weight of 393.84 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorophenyl)-N-[(1R)-1-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]ethanamine is sourced from PubChem (CID 44543088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).